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DOE OSTI · 3023151

Quantum Computing Algorithms and Applications for Coherent and Strongly Correlated Chemical Systems

Huang, Libai [Purdue Univ., West Lafayette, IN (United States)]·Kais, Sabre [Purdue Univ., West Lafayette, IN (United States)]·Chen, Yong P. [Purdue Univ., West Lafayette, IN (United States)]·Anderson, John [Univ. of Chicago, IL (United States)]·Narang, Prineha [Univ. of California, Los Angeles, CA (United States)]·Mazziotti, David [Univ. of Chicago, IL (United States)]
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Abstract

This project advanced quantum algorithms, quantum information theory, strongly correlated electronic structure methods, molecular quantum materials, and exciton transport imaging in coherent condensed phase systems. Across the award period, the team developed new methods for open-quantum-system simulation, Hamiltonian learning, state tomography, reduced-density-matrix and contracted-quantum eigensolver approaches, and quantum diagnostics for device capability and openness.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY97 MATHEMATICS AND COMPUTING

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Huang, Libai [Purdue Univ., West Lafayette, IN (United States)], Kais, Sabre [Purdue Univ., West Lafayette, IN (United States)], Chen, Yong P. [Purdue Univ., West Lafayette, IN (United States)], Anderson, John [Univ. of Chicago, IL (United States)], Narang, Prineha [Univ. of California, Los Angeles, CA (United States)], Mazziotti, David [Univ. of Chicago, IL (United States)]. 2026-03-16. Quantum Computing Algorithms and Applications for Coherent and Strongly Correlated Chemical Systems. https://doi.org/10.2172/3023151

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